7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole

C66H62N2O2 — CID 20710146

IUPAC7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole
SMILESC/C=C/c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(/C=C/c2ccc3c(OCCCCCC)c(C)ccc3c2OCCCCCC)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C66H62N2O2/c1-5-8-10-20-41-69-65-45(4)31-37-54-53(65)38-34-48(66(54)70-42-21-11-9-6-2)32-33-50-44-61(67-57-29-18-16-27-55(57)63-51-25-14-12-23-46(51)35-39-59(63)67)49(22-7-3)43-62(50)68-58-30-19-17-28-56(58)64-52-26-15-13-24-47(52)36-40-60(64)68/h7,12-19,22-40,43-44H,5-6,8-11,20-21,41-42H2,1-4H3/b22-7+,33-32+
InChIKeyBCFQAAURNZEAQL-HTPNNACLSA-N
MW915.23 g/mol
LogP18.77
Rot. Bonds17

About 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole

7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole (PubChem CID 20710146) has the molecular formula C66H62N2O2 and a molecular weight of 915.23 g/mol. Its IUPAC name is 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole
PubChem CID20710146
Molecular FormulaC66H62N2O2
Molecular Weight915.23 g/mol
Exact Mass914.48
IUPAC Name7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole
SMILESC/C=C/c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(/C=C/c2ccc3c(OCCCCCC)c(C)ccc3c2OCCCCCC)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C66H62N2O2/c1-5-8-10-20-41-69-65-45(4)31-37-54-53(65)38-34-48(66(54)70-42-21-11-9-6-2)32-33-50-44-61(67-57-29-18-16-27-55(57)63-51-25-14-12-23-46(51)35-39-59(63)67)49(22-7-3)43-62(50)68-58-30-19-17-28-56(58)64-52-26-15-13-24-47(52)36-40-60(64)68/h7,12-19,22-40,43-44H,5-6,8-11,20-21,41-42H2,1-4H3/b22-7+,33-32+
InChIKeyBCFQAAURNZEAQL-HTPNNACLSA-N
XLogP18.77
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.23
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,5-bis[(E)-2-(1,4-dihexoxynaphthalen-2-yl)ethenyl]-4,8-dihexoxynaphthalene
CID 10748568
12-hexoxy-10-methylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-ol
CID 175152122
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
1,5-diheptoxynaphthalene-2,6-dicarbaldehyde
CID 102384866
2,3-dihexoxy-1-methylphenanthrene
CID 10069112
9,10-dioctoxyanthracene
CID 21304201
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154975124
7-(4-bromo-2,5-dihexylphenyl)-10-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472898
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
22-hexyl-22-azahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene
CID 135031023

Frequently Asked Questions

What is the IUPAC name of 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole?
The IUPAC name of 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole (CID 20710146) is 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole is C/C=C/c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c(/C=C/c2ccc3c(OCCCCCC)c(C)ccc3c2OCCCCCC)cc1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole?
The InChIKey is BCFQAAURNZEAQL-HTPNNACLSA-N. The full InChI is InChI=1S/C66H62N2O2/c1-5-8-10-20-41-69-65-45(4)31-37-54-53(65)38-34-48(66(54)70-42-21-11-9-6-2)32-33-50-44-61(67-57-29-18-16-27-55(57)63-51-25-14-12-23-46(51)35-39-59(63)67)49(22-7-3)43-62(50)68-58-30-19-17-28-56(58)64-52-26-15-13-24-47(52)36-40-60(64)68/h7,12-19,22-40,43-44H,5-6,8-11,20-21,41-42H2,1-4H3/b22-7+,33-32+.
What are the key properties of 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole?
7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole has a molecular weight of 915.23 g/mol, XLogP of 18.77, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-benzo[c]carbazol-7-yl-2-[(E)-2-(1,5-dihexoxy-6-methylnaphthalen-2-yl)ethenyl]-5-[(E)-prop-1-enyl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 20710146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).